General Information of the Compound
| Compound ID |
CP0313350
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| Compound Name |
US8664236, A15
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| Structure |
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| Formula |
C25H25ClN8O
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| Molecular Weight |
488.983
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| Canonical SMILES |
CC(C)n1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCO)c3ccccc3Cl)c2c1
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| InChI |
InChI=1S/C25H25ClN8O/c1-15(2)34-14-17(12-30-34)16-9-18-19(13-29-24(18)28-11-16)21-10-23(32-25(27)31-21)33(7-8-35)22-6-4-3-5-20(22)26/h3-6,9-15,35H,7-8H2,1-2H3,(H,28,29)(H2,27,31,32)
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| InChIKey |
BBVZWNSMOMWGIT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound